Binding information for 2wot_ligand_4_14.mol2(FDBF02614)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wot_ligand_4_14.mol2 | 2wot | 1 | -6.01 | COc1cc(cc(c1OC)OC)N | 13 |
Structure and binding mode of 2wot_ligand_4_14.mol2(FDBF02614)
Important binding residues for 2wot_ligand_4_14.mol2(FDBF02614)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wot | ILE211 | -2.23 | -0.37 | -2.6 | 0.41 | -2.20 |
| 2wot | VAL219 | -0.27 | 0.04 | -0.23 | -0.19 | -0.42 |
| 2wot | HIS283 | -0.48 | -2.02 | -2.5 | 1.37 | -1.13 |
| 2wot | HIS285 | -0.42 | 0.50 | 0.08 | -0.55 | -0.47 |
| 2wot | GLY286 | -1.13 | -1.25 | -2.38 | 0.81 | -1.58 |
| 2wot | SER287 | -0.94 | -0.45 | -1.39 | 0.58 | -0.81 |
| 2wot | LEU340 | -0.85 | 0.11 | -0.74 | -0.14 | -0.89 |
